2-(2-azanyl-4-bromanyl-phenyl)sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-(2-azanyl-4-bromanyl-phenyl)sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-(2-amino-4-bromo-phenyl)sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[(2-amino-4-bromophenyl)thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-(2-amino-4-bromophenyl)sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[(2-amino-4-bromo-phenyl)thio]-1-piperidino-ethanone Formula: C13H17BrN2OS MolecularWeight: 329.25588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)Br)N

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)Br)N

InChI

InChI=1S/C13H17BrN2OS/c14-10-4-5-12(11(15)8-10)18-9-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9,15H2